4-cyclopentyloxy-5-methoxy-N-(2,3,5,6-tetrafluoro-4-pyridinyl)pyridine-2-carboxamide

C17H15F4N3O3 — CID 22145765

IUPAC4-cyclopentyloxy-5-methoxy-N-(2,3,5,6-tetrafluoro-4-pyridinyl)pyridine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2c(F)c(F)nc(F)c2F)cc1OC1CCCC1
InChIInChI=1S/C17H15F4N3O3/c1-26-11-7-22-9(6-10(11)27-8-4-2-3-5-8)17(25)23-14-12(18)15(20)24-16(21)13(14)19/h6-8H,2-5H2,1H3,(H,23,24,25)
InChIKeySJVHFHMZBFUGHC-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.62
Rot. Bonds5

About 4-cyclopentyloxy-5-methoxy-N-(2,3,5,6-tetrafluoro-4-pyridinyl)pyridine-2-carboxamide

4-cyclopentyloxy-5-methoxy-N-(2,3,5,6-tetrafluoro-4-pyridinyl)pyridine-2-carboxamide (PubChem CID 22145765) has the molecular formula C17H15F4N3O3 and a molecular weight of 385.32 g/mol. Its IUPAC name is 4-cyclopentyloxy-5-methoxy-N-(2,3,5,6-tetrafluoro-4-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyclopentyloxy-5-methoxy-N-(2,3,5,6-tetrafluoro-4-pyridinyl)pyridine-2-carboxamide
PubChem CID22145765
Molecular FormulaC17H15F4N3O3
Molecular Weight385.32 g/mol
Exact Mass385.10
IUPAC Name4-cyclopentyloxy-5-methoxy-N-(2,3,5,6-tetrafluoro-4-pyridinyl)pyridine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2c(F)c(F)nc(F)c2F)cc1OC1CCCC1
InChIInChI=1S/C17H15F4N3O3/c1-26-11-7-22-9(6-10(11)27-8-4-2-3-5-8)17(25)23-14-12(18)15(20)24-16(21)13(14)19/h6-8H,2-5H2,1H3,(H,23,24,25)
InChIKeySJVHFHMZBFUGHC-UHFFFAOYSA-N
XLogP3.62
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-5-methoxy-N-(2,3,5,6-tetrafluoro-4-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 4-cyclopentyloxy-5-methoxy-N-(2,3,5,6-tetrafluoro-4-pyridinyl)pyridine-2-carboxamide (CID 22145765) is 4-cyclopentyloxy-5-methoxy-N-(2,3,5,6-tetrafluoro-4-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-cyclopentyloxy-5-methoxy-N-(2,3,5,6-tetrafluoro-4-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 4-cyclopentyloxy-5-methoxy-N-(2,3,5,6-tetrafluoro-4-pyridinyl)pyridine-2-carboxamide is COc1cnc(C(=O)Nc2c(F)c(F)nc(F)c2F)cc1OC1CCCC1.
What is the InChIKey of 4-cyclopentyloxy-5-methoxy-N-(2,3,5,6-tetrafluoro-4-pyridinyl)pyridine-2-carboxamide?
The InChIKey is SJVHFHMZBFUGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O3/c1-26-11-7-22-9(6-10(11)27-8-4-2-3-5-8)17(25)23-14-12(18)15(20)24-16(21)13(14)19/h6-8H,2-5H2,1H3,(H,23,24,25).
What are the key properties of 4-cyclopentyloxy-5-methoxy-N-(2,3,5,6-tetrafluoro-4-pyridinyl)pyridine-2-carboxamide?
4-cyclopentyloxy-5-methoxy-N-(2,3,5,6-tetrafluoro-4-pyridinyl)pyridine-2-carboxamide has a molecular weight of 385.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-5-methoxy-N-(2,3,5,6-tetrafluoro-4-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 22145765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).